SCHEMBL801525

SCHEMBL801525

CC(C)c1[nH]cc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.37
FFAR1 O14842 1/20 0.37
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
CYP2A6 P11509 3/20 0.35
ALOX12 P18054 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ATM Q13315 1/20 0.34
ADRA2A P08913 4/20 0.34
HTR2B P41595 2/20 0.34
ADRB1 P08588 1/20 0.34
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR1E P28566 1/20 0.34
SLC6A4 P31645 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21105663 0.83 FFAR1 (0.39) GPR84FFAR1HTR2AHTR2CCYP2A6
SCHEMBL13134412 0.80 CHRNB2 (0.41) GPR84FFAR1HTR2AHTR2CTSHR
SCHEMBL2660499 0.76 ALDH1A1 (0.38) HTR2AHTR2CALDH1A1ATM
SCHEMBL7362956 0.74 POLB (0.38) ALDH1A1
SCHEMBL802132 0.72 DYRK1A (0.41) HTR2AHTR2CHTR2B
SCHEMBL10772733 0.70 ALDH1A1 (0.47) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
SCHEMBL23421392 0.69 HTR2A (0.40) GPR84FFAR1HTR2AHTR2CADRA2A
SCHEMBL1672648 0.69 ALDH1A1 (0.43) GPR84CYP2A6ALOX12ALDH1A1HSD17B10
SCHEMBL801938 0.68 CCR1 (0.43) HTR2AHTR2CTSHRTDP1HTR2B
SCHEMBL23931683 0.67 ALDH1A1 (0.41) GPR84CYP2A6ALOX12ALDH1A1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295181-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS Sanford Burnham Prebys Medical Discovery Institute 2023-09-21 US disclosed
US-20230295181-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS Sanford Burnham Prebys Medical Discovery Institute 2023-09-21 US disclosed
US-20230026909-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2023-01-26 US disclosed
US-20200339569-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2020-10-29 US disclosed
US-20190076539-A1 AMINE-LINKED C3-GLUTARIMIDE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 Theraprutics, Inc. (US) 2019-03-14 US disclosed
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 US disclosed
WO-2010096123-A2 AMINO ACID SALTS OF PROSTAGLANDINS AERIE PHARMACEUTICALS, INC. (US) 2010-08-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200339569-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS HDAC6, HDAC1, HDAC3 GPR84 3907/4885FFAR1 3890/4885HTR2A 3498/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 GPR84 2069/4885FFAR1 4313/4885HTR2A 3676/4885
US-20190076539-A1 AMINE-LINKED C3-GLUTARIMIDE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION GCGR, STUB1, GID4 GPR84 1302/4885FFAR1 3736/4885HTR2A 1792/4885
US-20230026909-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS HDAC6, HDAC1, HDAC3 GPR84 3907/4885FFAR1 3890/4885HTR2A 3498/4885
US-20230295181-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS API5, XIAP, BIRC5 GPR84 3745/4885FFAR1 4089/4885HTR2A 4276/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.